REMARK  Name = BDB006970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.241   0.506  -2.297  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.847  -0.276  -2.651  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.506  -1.331  -1.994  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.650  -1.681  -2.705  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.460  -2.683  -2.221  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        3.179  -3.354  -1.085  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        2.042  -3.024  -0.411  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.832  -0.834  -3.937  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        3.997   0.145  -3.750  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        3.030  -1.669  -5.203  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.166  -2.029  -0.852  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        1.478  -0.085  -3.967  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.776   1.234  -3.142  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -0.716   0.470  -0.833  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -2.219   4.518  -1.783  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -1.684   4.149  -0.398  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -2.855   3.975   0.484  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -3.075   4.855   0.946  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -2.623   2.918   1.469  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1       -2.285   1.527   0.823  0.00  0.00    +0.092 C 
ATOM     21  N   LIG    1       -1.504   1.651  -0.446  0.00  0.00    -0.287 NA
ATOM     22  C   LIG    1       -0.744   2.908  -0.475  0.00  0.00    +0.103 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -1.674   0.603   1.904  0.00  0.00    +0.163 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.549   0.402   3.047  0.00  0.00    -0.267 N 
ATOM     25  N   LIG    1       -2.343   1.104   4.186  0.00  0.00    -0.177 NA
ATOM     26  C   LIG    1       -3.300   0.656   5.008  0.00  0.00    +0.172 A 
ATOM     27  C   LIG    1       -4.085  -0.322   4.394  0.00  0.00    +0.161 A 
ATOM     28  F   LIG    1       -5.116  -0.979   4.928  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -3.591  -0.479   3.129  0.00  0.00    +0.146 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  30
ATOM     30  C   LIG    1        1.736  -3.833   0.834  0.00  0.00    +0.090 C 
BRANCH  30  31
ATOM     31  C   LIG    1        1.263  -3.023   2.025  0.00  0.00    -0.042 A 
ATOM     32  C   LIG    1        2.063  -2.002   2.559  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        1.620  -1.251   3.649  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        0.380  -1.523   4.225  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -0.414  -2.548   3.716  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        0.022  -3.294   2.621  0.00  0.00    +0.004 A 
ENDBRANCH  30  31
ENDBRANCH   7  30
TORSDOF 6